(2E,4R,5S,6S,8E)-2,4,6,8-tetramethyl-5-triethylsilyloxyundeca-2,8,10-trienal

C21H38O2Si — CID 135015019

IUPAC(2E,4R,5S,6S,8E)-2,4,6,8-tetramethyl-5-triethylsilyloxyundeca-2,8,10-trienal
SMILESC=C/C=C(\C)C[C@H](C)[C@H](O[Si](CC)(CC)CC)[C@H](C)/C=C(\C)C=O
InChIInChI=1S/C21H38O2Si/c1-9-13-17(5)14-19(7)21(20(8)15-18(6)16-22)23-24(10-2,11-3)12-4/h9,13,15-16,19-21H,1,10-12,14H2,2-8H3/b17-13+,18-15+/t19-,20+,21-/m0/s1
InChIKeyFFIFVYCNNFLIBD-FOQNKHSLSA-N
MW350.62 g/mol
LogP6.32
Rot. Bonds12

About (2E,4R,5S,6S,8E)-2,4,6,8-tetramethyl-5-triethylsilyloxyundeca-2,8,10-trienal

(2E,4R,5S,6S,8E)-2,4,6,8-tetramethyl-5-triethylsilyloxyundeca-2,8,10-trienal (PubChem CID 135015019) has the molecular formula C21H38O2Si and a molecular weight of 350.62 g/mol. Its IUPAC name is (2E,4R,5S,6S,8E)-2,4,6,8-tetramethyl-5-triethylsilyloxyundeca-2,8,10-trienal.

Molecular Properties

Compound Name(2E,4R,5S,6S,8E)-2,4,6,8-tetramethyl-5-triethylsilyloxyundeca-2,8,10-trienal
PubChem CID135015019
Molecular FormulaC21H38O2Si
Molecular Weight350.62 g/mol
Exact Mass350.26
IUPAC Name(2E,4R,5S,6S,8E)-2,4,6,8-tetramethyl-5-triethylsilyloxyundeca-2,8,10-trienal
SMILESC=C/C=C(\C)C[C@H](C)[C@H](O[Si](CC)(CC)CC)[C@H](C)/C=C(\C)C=O
InChIInChI=1S/C21H38O2Si/c1-9-13-17(5)14-19(7)21(20(8)15-18(6)16-22)23-24(10-2,11-3)12-4/h9,13,15-16,19-21H,1,10-12,14H2,2-8H3/b17-13+,18-15+/t19-,20+,21-/m0/s1
InChIKeyFFIFVYCNNFLIBD-FOQNKHSLSA-N
XLogP6.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.62
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E,6E,8E,10E,12E,14S,15R,16S,17S)-15-[tert-butyl(dimethyl)silyl]oxy-17-hydroxy-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenal
CID 10993704
(2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-9-iodo-2,4,6,8-tetramethylnona-2,8-dienal
CID 11048633
(2E,4E,6E,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-8-methylundeca-2,4,6-trienal
CID 11370282
(2E,4E,7R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-8-methylundeca-2,4-dienal
CID 11416156
(2Z,6E,8S)-10-[tert-butyl(dimethyl)silyl]oxy-5-methylidene-8-propan-2-ylcyclodeca-2,6-dien-1-one
CID 13073165
(2E,4E,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-8-methylundeca-2,4-dienal
CID 15467057
(E,4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhexadec-2-enal
CID 16062351
(2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylundeca-2,8,10-trienal
CID 24886641
(2E,4R,5S,6S,8E)-2,4,6,8-tetramethyl-5-triethylsilyloxy-11-trimethylsilylundeca-2,8-dien-10-ynal
CID 134834031
(2E,4E,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnona-2,4-dienal
CID 134865845
(E,4R,5R,6S,7R,8S)-2,4,6,8-tetramethyl-5,7-bis(trimethylsilyloxy)dec-2-enal
CID 134887097
(2E,4S,7R,8E)-7-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethylundeca-2,8,10-trienal
CID 134949903

Frequently Asked Questions

What is the IUPAC name of (2E,4R,5S,6S,8E)-2,4,6,8-tetramethyl-5-triethylsilyloxyundeca-2,8,10-trienal?
The IUPAC name of (2E,4R,5S,6S,8E)-2,4,6,8-tetramethyl-5-triethylsilyloxyundeca-2,8,10-trienal (CID 135015019) is (2E,4R,5S,6S,8E)-2,4,6,8-tetramethyl-5-triethylsilyloxyundeca-2,8,10-trienal.
What is the SMILES notation for (2E,4R,5S,6S,8E)-2,4,6,8-tetramethyl-5-triethylsilyloxyundeca-2,8,10-trienal?
The canonical SMILES for (2E,4R,5S,6S,8E)-2,4,6,8-tetramethyl-5-triethylsilyloxyundeca-2,8,10-trienal is C=C/C=C(\C)C[C@H](C)[C@H](O[Si](CC)(CC)CC)[C@H](C)/C=C(\C)C=O.
What is the InChIKey of (2E,4R,5S,6S,8E)-2,4,6,8-tetramethyl-5-triethylsilyloxyundeca-2,8,10-trienal?
The InChIKey is FFIFVYCNNFLIBD-FOQNKHSLSA-N. The full InChI is InChI=1S/C21H38O2Si/c1-9-13-17(5)14-19(7)21(20(8)15-18(6)16-22)23-24(10-2,11-3)12-4/h9,13,15-16,19-21H,1,10-12,14H2,2-8H3/b17-13+,18-15+/t19-,20+,21-/m0/s1.
What are the key properties of (2E,4R,5S,6S,8E)-2,4,6,8-tetramethyl-5-triethylsilyloxyundeca-2,8,10-trienal?
(2E,4R,5S,6S,8E)-2,4,6,8-tetramethyl-5-triethylsilyloxyundeca-2,8,10-trienal has a molecular weight of 350.62 g/mol, XLogP of 6.32, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4R,5S,6S,8E)-2,4,6,8-tetramethyl-5-triethylsilyloxyundeca-2,8,10-trienal is sourced from PubChem (CID 135015019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).